Ethyl 5-<<(tert-butyloxycarbonyl)amino>methyl>-1,3,4-oxadiazole-2-carboxylate | 164029-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ethyl 5-<<(tert-butyloxycarbonyl)amino>methyl>-1,3,4-oxadiazole-2-carboxylate
• 英文别名: 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid ethyl ester；5-(tert-butoxycarbonylamino-methyl)-1,3,4-oxadiazole-2-carboxylic acid ethyl ester；ethyl 5-{[(tert-butoxy)carbonylamino]methyl}-1,3,4-oxadiazole-2-carboxylate；Ethyl 5-(tert-butyloxycarbonylaminomethyl)-[1,3,4]oxadiazole-2-carboxylate；ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-oxadiazole-2-carboxylate
• CAS: 164029-51-0
• 化学式: C₁₁H₁₇N₃O₅
• 分子量: 271.273
• InChiKey: AWBKZLODEPRJBN-UHFFFAOYSA-N

物化性质

• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  Ethyl 5-<<(tert-butyloxycarbonyl)amino>methyl>-1,3,4-oxadiazole-2-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 2.25h， 以86%的产率得到5-氨甲基-1,3,4-恶二唑-2-甲酸乙酯盐酸盐
  参考文献：
  名称：

  Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates

  摘要：

  披露了一种高效且可扩展的过程，用于从易得的起始材料制备1,2,4-和1,3,4-噁二唑羧酸酯。

  公开号：

  US20040019215A1
• 作为产物：
  描述：

  3-(2-tert-Butoxycarbonylamino-acetyl)-2-oxo-2,3-dihydro-2λ⁴-[1,2,3,4]oxathiadiazole-5-carboxylic acid ethyl ester 以 甲苯 为溶剂， 反应 2.0h， 生成 Ethyl 5-<<(tert-butyloxycarbonyl)amino>methyl>-1,3,4-oxadiazole-2-carboxylate
  参考文献：
  名称：

  Synthesis of 1,2,4-Oxadiazole-, 1,3,4-Oxadiazole-, and 1,2,4-Triazole-Derived Dipeptidomimetics

  摘要：

  Three series of heterocyclic dipeptidomimetics have been synthesized. The compounds were designed as amino acid-glycine mimetics containing 1,2,4-oxadiazole, 1,3,4-oxadiazole, and 1,2,4-triazole ring systems, useful as building blocks in the synthesis of modified peptides. The heterocyclic moieties were chosen according to their geometrical, electrostatical, and hydrogen bonding properties together with the synthetic accessibility. The syntheses started with Boc-protected L-amino acids (Ala, Gly, Asp, Phe, Ser, Arg, Cys, and Pro), and the reaction conditions were chosen to allow for the formation of products with high enantiopurity. The enantiomeric excess was determined by HPLC using chiral stationary phases.

  DOI：

  10.1021/jo00115a029

文献信息

• [EN] NEW BRADYKININ B1 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES DU RÉCEPTEUR DE LA BRADYKININE B1
  申请人：EVOTEC NEUROSCIENCES GMBH

  公开号：WO2010020556A1

  公开（公告）日：2010-02-25

  The invention relates to compounds of formula (I) wherein R1, R1a, R1b, R2, R3 and X, X1, X2, X3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  该发明涉及式（I）的化合物，其中R1、R1a、R1b、R2、R3以及X、X1、X2、X3的含义如描述和权利要求中所述。所述化合物可用作Bradykinin B1拮抗剂。该发明还涉及制药组合物、该类化合物的制备以及作为药物的生产和使用。
• Large scale synthesis of 1,2,4- and 1,3,4- oxadiazole carboxylates
  申请人：Kolb C. Hartmuth

  公开号：US20050154211A1

  公开（公告）日：2005-07-14

  Disclosed are efficient and scalable processes for preparing 1,2,4- and 1,3,4-oxadiazole carboxylates from readily available starting materials.

  本发明揭示了一种从易得的起始物质制备1,2,4-和1,3,4-氧代二唑羧酸酯的高效可扩展工艺。
• Novel compounds
  申请人：Ancliff Ann Rachael

  公开号：US20060063765A1

  公开（公告）日：2006-03-23

  Compounds of formula (I): wherein: R 1 represents substituted or unsubstituted heteroaryl; Y represents —(CR na R nb ) n —; R na and R nb are each independently hydrogen or C 1-6 alkyl; n is an integer from 0 to 5; R 2 represents unsubstituted or substituted aryl or unsubstituted or substituted heteroaryl; R 3 and R 4 each independently represent hydrogen or C 1-6 alkyl; R 7 represents hydrogen or C 1-6 alkyl; R 8 represents hydrogen or C 1-6 alkyl; and salts and solvates thereof; are CCR3 antagonists and are thus indicated to be useful in therapy.

  式（I）的化合物： 其中： R1代表取代或未取代的杂环芳基； Y代表—（CRnaRnb）n—； Rna和Rnb各自独立地代表氢或C1-6烷基； n为0到5的整数； R2代表未取代或取代的芳基或未取代或取代的杂环芳基； R3和R4各自独立地代表氢或C1-6烷基； R7代表氢或C1-6烷基； R8代表氢或C1-6烷基； 它们的盐和溶剂化物是CCR3拮抗剂，因此被认为在治疗中有用。
• Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases
  申请人：Glaxo Group Limited

  公开号：US07622464B2

  公开（公告）日：2009-11-24

  Compounds of formula (I): wherein: R1 represents substituted or unsubstituted heteroaryl; Y represents —(CRnaRnb)n—; Rna and Rnb are each independently hydrogen or C1-6alkyl; n is an integer from 0 to 5; R2 represents unsubstituted or substituted aryl or unsubstituted or substituted heteroaryl; R3 and R4 each independently represent hydrogen or C1-6-alkyl; R7 represents hydrogen or C1-6alkyl; R8 represents hydrogen or C1-6alkyl; and salts and solvates thereof; are CCR3 antagonists and are thus indicated to be useful in therapy.

  化合物的公式(I): 其中: R1代表取代或未取代的杂环芳基; Y代表—(CRnaRnb)n—; Rna和Rnb各自独立地代表氢或C1-6烷基; n是从0到5的整数; R2代表未取代或取代的芳基或未取代或取代的杂环芳基; R3和R4各自独立地代表氢或C1-6烷基; R7代表氢或C1-6烷基; R8代表氢或C1-6烷基; 以及它们的盐和溶剂化物; 是CCR3拮抗剂，因此在治疗中有用。
• NEW BRADYKININ B1 ANTAGONISTS
  申请人：Madden James

  公开号：US20110201589A1

  公开（公告）日：2011-08-18

  The invention relates to compounds of formula (I) wherein R 1 , R 1a , R 1b , R 2 , R 3 and X, X 1 , X 2 , X 3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  本发明涉及式(I)的化合物，其中R1、R1a、R1b、R2、R3和X、X1、X2、X3的含义如描述和权利要求中所述。所述化合物可用作Bradykinin B1受体拮抗剂。本发明还涉及制备这种化合物的药物组合物，以及作为药物的生产和使用。